From 736d9448250d96ed00a3291204eab2bfdc6f3cef Mon Sep 17 00:00:00 2001
From: Jessica Braun <104623181+brje01@users.noreply.github.com>
Date: Mon, 19 Aug 2024 11:01:51 +0200
Subject: [PATCH] updated the README with the JCIMpaper link (#66)

---
 README.md | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/README.md b/README.md
index 64fdf0d..9fb6ba4 100644
--- a/README.md
+++ b/README.md
@@ -1,7 +1,5 @@
 # LWReg: a lightweight chemical registration system
 
-The preprint of the application note describing `lwreg` is here: https://doi.org/10.26434/chemrxiv-2024-zrfl9 
-
 This provides a basic registration system which can be used either as a python
 library or via a command-line interface.
 
@@ -11,6 +9,10 @@ Basic operations:
 - `query`: takes a molecule as input and checks whether or not a matching molecule is registered. returns molregnos (registry IDs) of the matching molecule(s), if any
 - `retrieve`: takes one or more IDs and returns the registered structures for them
 
+## Publications
+
+[1] J. Chem. Inf. Model. 2024, XXXX, XXX, XXX-XXX (ASAP article): https://pubs.acs.org/doi/10.1021/acs.jcim.4c01133
+
 ## Quick-start installation for non-experts:
 
 Assuming that you have conda (or mamba or something equivalent) installed you can install lwreg directly from this github repo by first creating a conda environment with all the dependencies installed: